methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate

C13H14O4S — CID 140987824

IUPACmethyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1C)SC(OC)CC2=O
InChIInChI=1S/C13H14O4S/c1-7-8(13(15)17-3)4-5-9-10(14)6-11(16-2)18-12(7)9/h4-5,11H,6H2,1-3H3
InChIKeyUWEGJPWNZWLFBJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.43
Rot. Bonds2

About methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate

methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate (PubChem CID 140987824) has the molecular formula C13H14O4S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate
PubChem CID140987824
Molecular FormulaC13H14O4S
Molecular Weight266.32 g/mol
Exact Mass266.06
IUPAC Namemethyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1C)SC(OC)CC2=O
InChIInChI=1S/C13H14O4S/c1-7-8(13(15)17-3)4-5-9-10(14)6-11(16-2)18-12(7)9/h4-5,11H,6H2,1-3H3
InChIKeyUWEGJPWNZWLFBJ-UHFFFAOYSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate
CID 20687962
methyl 5-methyl-2,3-dihydro-1,4-benzodithiine-6-carboxylate
CID 18432367
methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929462
methyl 4-amino-3-hydroxy-2-methylbenzoate;hydrochloride
CID 155973615
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
methyl 2-chloro-3-methyl-4-methylsulfinylbenzoate
CID 166066780
3-(3-methoxycarbonyl-2-methylphenyl)-2-methylbenzoic acid
CID 175198121
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate?
The IUPAC name of methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate (CID 140987824) is methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate.
What is the SMILES notation for methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate?
The canonical SMILES for methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate is COC(=O)c1ccc2c(c1C)SC(OC)CC2=O.
What is the InChIKey of methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate?
The InChIKey is UWEGJPWNZWLFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4S/c1-7-8(13(15)17-3)4-5-9-10(14)6-11(16-2)18-12(7)9/h4-5,11H,6H2,1-3H3.
What are the key properties of methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate?
methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-8-methyl-4-oxo-2,3-dihydrothiochromene-7-carboxylate is sourced from PubChem (CID 140987824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).